The 2-Amino-4-(3,4-difluorophenyl)thiazole, also known as 4-(3,4-Difluoro-phenyl)-thiazol-2-ylamine, is an organic compound with the formula C9H6F2N2S. It belongs to the product categories of Thiazoles; Building Blocks; Heterocyclic Building Blocks. With the CAS registry number 175135-32-7, its IUPAC name is 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine.
Physical properties of 2-Amino-4-(3,4-difluorophenyl)thiazole: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.63; (5)ACD/BCF (pH 7.4): 29.35; (6)ACD/KOC (pH 5.5): 381.33; (7)ACD/KOC (pH 7.4): 390.88; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 51.54 cm3; (13)Molar Volume: 148.1 cm3; (14)Surface Tension: 52.1 dyne/cm; (15)Density: 1.432 g/cm3; (16)Flash Point: 172.6 °C; (17)Enthalpy of Vaporization: 60.77 kJ/mol; (18)Boiling Point: 361.8 °C at 760 mmHg; (19)Vapour Pressure: 2.02E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C2=CSC(=N2)N)F)F
(2)InChI: InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
(3)InChIKey: NDCSJUJQMRFHEX-UHFFFAOYSA-N
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